4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one

C10H14ClN3O2 — CID 121448447

IUPAC4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one
SMILESC[C@H]1COCCN1c1cc(Cl)nc(=O)n1C
InChIInChI=1S/C10H14ClN3O2/c1-7-6-16-4-3-14(7)9-5-8(11)12-10(15)13(9)2/h5,7H,3-4,6H2,1-2H3/t7-/m0/s1
InChIKeyZNZDIQANKUCRRY-ZETCQYMHSA-N
MW243.69 g/mol
LogP0.66
Rot. Bonds1

About 4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one

4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one (PubChem CID 121448447) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one
PubChem CID121448447
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one
SMILESC[C@H]1COCCN1c1cc(Cl)nc(=O)n1C
InChIInChI=1S/C10H14ClN3O2/c1-7-6-16-4-3-14(7)9-5-8(11)12-10(15)13(9)2/h5,7H,3-4,6H2,1-2H3/t7-/m0/s1
InChIKeyZNZDIQANKUCRRY-ZETCQYMHSA-N
XLogP0.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
4-chloro-1-methyl-6-thiomorpholin-4-ylpyrimidin-2-one
CID 121448452
(3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine
CID 169304957
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
(3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine
CID 166927953
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine
CID 139406092
2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
CID 166756249
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
CID 146533977
(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 155376118

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one?
The IUPAC name of 4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one (CID 121448447) is 4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one.
What is the SMILES notation for 4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one?
The canonical SMILES for 4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one is C[C@H]1COCCN1c1cc(Cl)nc(=O)n1C.
What is the InChIKey of 4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one?
The InChIKey is ZNZDIQANKUCRRY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-7-6-16-4-3-14(7)9-5-8(11)12-10(15)13(9)2/h5,7H,3-4,6H2,1-2H3/t7-/m0/s1.
What are the key properties of 4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one?
4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one has a molecular weight of 243.69 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one is sourced from PubChem (CID 121448447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).